2-(2-hydroxyethylsulfanyl)-N-(3-methylphenyl)propanamide

C12H17NO2S — CID 42912749

IUPAC2-(2-hydroxyethylsulfanyl)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)SCCO)c1
InChIInChI=1S/C12H17NO2S/c1-9-4-3-5-11(8-9)13-12(15)10(2)16-7-6-14/h3-5,8,10,14H,6-7H2,1-2H3,(H,13,15)
InChIKeyQTTHWHLMAQISMV-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.05
Rot. Bonds5

About 2-(2-hydroxyethylsulfanyl)-N-(3-methylphenyl)propanamide

2-(2-hydroxyethylsulfanyl)-N-(3-methylphenyl)propanamide (PubChem CID 42912749) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)-N-(3-methylphenyl)propanamide
PubChem CID42912749
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(2-hydroxyethylsulfanyl)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)SCCO)c1
InChIInChI=1S/C12H17NO2S/c1-9-4-3-5-11(8-9)13-12(15)10(2)16-7-6-14/h3-5,8,10,14H,6-7H2,1-2H3,(H,13,15)
InChIKeyQTTHWHLMAQISMV-UHFFFAOYSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)propanamide
CID 18153408
N-(3-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide
CID 46512645
(2S)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)propanamide
CID 41037733
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
2-(2-hydroxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
CID 42912739
N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide
CID 43617429
(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide
CID 7466965
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide
CID 43617506
N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 82032405
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
4-amino-2-methyl-N-(3-methylphenyl)butanamide
CID 80542067

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-(3-methylphenyl)propanamide?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-(3-methylphenyl)propanamide (CID 42912749) is 2-(2-hydroxyethylsulfanyl)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)-N-(3-methylphenyl)propanamide?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)C(C)SCCO)c1.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)-N-(3-methylphenyl)propanamide?
The InChIKey is QTTHWHLMAQISMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9-4-3-5-11(8-9)13-12(15)10(2)16-7-6-14/h3-5,8,10,14H,6-7H2,1-2H3,(H,13,15).
What are the key properties of 2-(2-hydroxyethylsulfanyl)-N-(3-methylphenyl)propanamide?
2-(2-hydroxyethylsulfanyl)-N-(3-methylphenyl)propanamide has a molecular weight of 239.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanyl)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 42912749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).